Project name: e96ae331fb3bd05

Status: done

Started: 2026-07-06 06:34:40
Settings
Chain sequence(s) A: METDTLLLWVLLLWVPGSTETIDQWLLKNAKEDAIAELKKAGITSDFYFNAINKAKTVEEVNALKNEILKAHAGGGGGSGGGGSGGGGSVQLVESGGGLVQPGGSLRLSCAASGFTFSYAMSWVRAPGKGLEWVSAISGSGGSTYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYARSSYDSSGYYAMDYWGQGTLVTVSSSGGGGSGGGGSGGGGSDIQMTQSPSSLSASVGDRVTTSCRASQDISNYLAWYQQKPGKAPKLLIYYTSRLQSGVPSRFSGSGSGDTFTLISSLQPEDFATYYCQQYNSYPYTFGQGKTVEIKGGGGGSGGGGSGGGGSEVQLVESGGGLVQPGGSLRLSCAASGFTFSSYAMSWVRQAPGKGLEWVSAISGSGGSTYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCARSSYDSSGYYAMDYWGQGTLVTVSSGGGGSGGGGSGGGGSDIQMTQSPSSLSASVGDRVTITCRASQDISNYLAWYQQKPGKAPKLLIYYTSRLQSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQYNSYPYTFGQGTKVEIK
input PDB
Selected Chain(s) A
Distance of aggregation 10 Å
FoldX usage Yes
Dynamic mode No
Automated mutations No
Downloads Download all the data
Simulation log
[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:00)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:00)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:04:51)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:55)
Show buried residues

Minimal score value
-3.6259
Maximal score value
4.5187
Average score
-0.6675
Total score value
-393.1654

The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.

residue index residue name chain Aggrescan3D score mutation
residue index residue name chain Aggrescan3D score
mutation
1 M A -0.1744
2 E A -1.3963
3 T A -0.5285
4 D A -0.6291
5 T A 0.7496
6 L A 2.4963
7 L A 3.1001
8 L A 3.8797
9 W A 4.0230
10 V A 3.8888
11 L A 4.5187
12 L A 4.1036
13 L A 3.1821
14 W A 2.7658
15 V A 2.3287
16 P A 0.5245
17 G A -0.2457
18 S A -0.1089
19 T A -0.7001
20 E A -1.2392
21 T A -0.8220
22 I A -0.1159
23 D A -1.7073
24 Q A -1.9970
25 W A -0.9580
26 L A -0.4139
27 L A -1.7631
28 K A -2.6905
29 N A -2.2022
30 A A -2.1301
31 K A -3.0680
32 E A -3.5931
33 D A -3.6259
34 A A 0.0000
35 I A -2.5557
36 A A -2.6217
37 E A -3.1905
38 L A 0.0000
39 K A -3.0297
40 K A -3.0227
41 A A -1.8979
42 G A -1.8078
43 I A 0.0000
44 T A -0.9502
45 S A -0.5883
46 D A -1.0042
47 F A 0.7921
48 Y A 0.1917
49 F A -1.1721
50 N A -1.6204
51 A A -1.1158
52 I A 0.0000
53 N A -2.8754
54 K A -3.0674
55 A A -2.6572
56 K A -2.8440
57 T A -2.0268
58 V A -1.3078
59 E A -2.2218
60 E A -2.2309
61 V A 0.0000
62 N A -1.8264
63 A A -1.4700
64 L A -1.2780
65 K A -1.9153
66 N A -2.1596
67 E A -2.7264
68 I A 0.0000
69 L A -1.8559
70 K A -2.6992
71 A A -1.7819
72 H A -1.8035
73 A A -1.2084
74 G A -1.3840
75 G A -1.3697
76 G A -1.2165
77 G A -1.1342
78 G A -0.9907
79 S A -0.8585
80 G A -0.9944
81 G A -1.0619
82 G A -1.1201
83 G A -1.0728
84 S A -0.9524
85 G A -1.1461
86 G A -1.1878
87 G A -1.1533
88 G A -1.1746
89 S A -0.8053
90 V A -0.3603
91 Q A -0.6541
92 L A 0.0000
93 V A 0.4362
94 E A 0.0000
95 S A -0.4368
96 G A -0.8927
97 G A -0.1836
98 G A 0.3168
99 L A 1.2988
100 V A -0.0368
101 Q A -1.3445
102 P A -1.4157
103 G A -1.4084
104 G A -1.0003
105 S A -1.3319
106 L A -0.9747
107 R A -2.2399
108 L A 0.0000
109 S A -0.5402
110 C A 0.0000
111 A A -0.3327
112 A A 0.0000
113 S A -0.8118
114 G A -0.8258
115 F A -0.1918
116 T A -0.1688
117 F A 0.0000
118 S A -0.2707
119 Y A 0.4499
120 A A 0.2723
121 M A 0.0000
122 S A 0.0000
123 W A 0.0000
124 V A 0.0000
125 R A 0.0000
126 A A -0.4036
127 P A -1.0310
128 G A -1.2628
129 K A -2.2560
130 G A -1.4691
131 L A 0.0000
132 E A -0.7275
133 W A 0.0000
134 V A 0.0000
135 S A 0.0000
136 A A 0.0000
137 I A 0.0000
138 S A -0.2578
139 G A -0.3545
140 S A -0.6974
141 G A -0.8189
142 G A -0.7193
143 S A -0.3273
144 T A 0.0598
145 Y A 0.2629
146 Y A -0.5484
147 A A -1.2620
148 D A -2.6407
149 S A -1.7778
150 V A 0.0000
151 K A -2.4688
152 G A -1.6899
153 R A -1.4691
154 F A 0.0000
155 T A -0.8439
156 I A 0.0000
157 S A -0.5340
158 R A -1.1182
159 D A -1.6935
160 N A -2.1527
161 S A -1.7717
162 K A -2.4878
163 N A -1.8578
164 T A -1.1295
165 L A 0.0000
166 Y A -0.5726
167 L A 0.0000
168 Q A -1.5156
169 M A 0.0000
170 N A -1.4671
171 S A -1.2625
172 L A 0.0000
173 R A -2.3383
174 A A -1.7632
175 E A -2.2682
176 D A 0.0000
177 T A -0.5152
178 A A 0.0000
179 V A 0.5456
180 Y A 0.0000
181 Y A 0.0000
182 A A 0.0000
183 R A 0.0000
184 S A 0.0000
185 S A 0.0000
186 Y A 0.6794
187 D A -0.1360
188 S A -0.3915
189 S A -0.3083
190 G A -0.0966
191 Y A 0.4991
192 Y A 0.8600
193 A A 0.0000
194 M A 0.0000
195 D A -0.0631
196 Y A 0.4545
197 W A -0.0207
198 G A 0.0000
199 Q A -0.8701
200 G A -0.1800
201 T A 0.1386
202 L A 0.7794
203 V A 0.0000
204 T A 0.1707
205 V A 0.0000
206 S A -0.5430
207 S A -1.2796
208 S A -1.1434
209 G A -1.2545
210 G A -1.1908
211 G A -1.1577
212 G A -1.1519
213 S A -0.9407
214 G A -1.1915
215 G A -1.2078
216 G A -1.1395
217 G A -1.1567
218 S A -1.0022
219 G A -1.1553
220 G A -1.3921
221 G A -1.2252
222 G A -1.4274
223 S A -1.1041
224 D A -1.4555
225 I A -1.4975
226 Q A -1.7049
227 M A 0.0000
228 T A -1.0111
229 Q A 0.0000
230 S A -0.5963
231 P A -0.3482
232 S A -0.5343
233 S A -0.6528
234 L A -0.7463
235 S A -1.3147
236 A A 0.0000
237 S A -1.1157
238 V A -0.1096
239 G A -0.8205
240 D A -1.6895
241 R A -2.1986
242 V A 0.0000
243 T A -0.3952
244 T A 0.0000
245 S A 0.0000
246 C A 0.0000
247 R A -2.2470
248 A A 0.0000
249 S A -2.1463
250 Q A -2.9878
251 D A -3.2367
252 I A 0.0000
253 S A -1.3381
254 N A -0.7463
255 Y A -0.0581
256 L A 0.0000
257 A A 0.0000
258 W A 0.0000
259 Y A 0.0000
260 Q A 0.0000
261 Q A -1.0542
262 K A -1.3955
263 P A -0.9927
264 G A -1.5453
265 K A -2.1857
266 A A -1.0637
267 P A 0.0000
268 K A -1.3392
269 L A 0.0000
270 L A 0.0000
271 I A 0.0000
272 Y A 0.0000
273 Y A -0.0179
274 T A 0.0000
275 S A -0.9495
276 R A -1.4551
277 L A -0.5357
278 Q A -0.8021
279 S A -0.6184
280 G A -0.5269
281 V A -0.3641
282 P A -0.3816
283 S A -0.4590
284 R A -0.7840
285 F A 0.0000
286 S A -0.4347
287 G A -0.4079
288 S A -0.5857
289 G A -0.8968
290 S A -1.1086
291 G A -2.0560
292 D A -3.0353
293 T A -1.7958
294 F A 0.0000
295 T A -0.2782
296 L A 0.0000
297 I A -0.1189
298 S A 0.0000
299 S A -1.2179
300 L A 0.0000
301 Q A -0.7391
302 P A -1.0461
303 E A -1.3650
304 D A 0.0000
305 F A -0.6094
306 A A 0.0000
307 T A -0.4893
308 Y A 0.0000
309 Y A 0.0000
310 C A 0.0000
311 Q A 0.0000
312 Q A 0.0000
313 Y A 0.0000
314 N A -0.6746
315 S A -0.2208
316 Y A 0.3391
317 P A -0.0983
318 Y A 0.0000
319 T A -0.4762
320 F A -0.3876
321 G A 0.0000
322 Q A -1.5782
323 G A -0.9472
324 K A 0.0000
325 T A -0.6792
326 V A 0.0000
327 E A -2.0680
328 I A -1.5072
329 K A -2.2444
330 G A -1.9095
331 G A -1.3546
332 G A -1.5914
333 G A -1.2050
334 G A -1.0873
335 S A -0.8757
336 G A -1.0574
337 G A -1.0761
338 G A -1.1210
339 G A -1.0671
340 S A -0.9336
341 G A -1.1373
342 G A -1.1726
343 G A -1.3459
344 G A -1.4189
345 S A -1.5880
346 E A -2.2105
347 V A -1.0056
348 Q A -1.0090
349 L A 0.0000
350 V A -0.0671
351 E A 0.0000
352 S A -0.5258
353 G A -0.8813
354 G A -0.1660
355 G A 0.3669
356 L A 1.2805
357 V A 0.0000
358 Q A -1.3693
359 P A -1.5335
360 G A -1.3375
361 G A -0.9149
362 S A -1.3116
363 L A -1.1178
364 R A -2.2495
365 L A 0.0000
366 S A -0.6261
367 C A 0.0000
368 A A -0.4697
369 A A 0.0000
370 S A -0.9786
371 G A -1.0503
372 F A -0.4173
373 T A -0.1876
374 F A 0.0000
375 S A -0.6006
376 S A -0.0921
377 Y A 0.3800
378 A A 0.2197
379 M A 0.0000
380 S A 0.0000
381 W A 0.0000
382 V A 0.0000
383 R A 0.0000
384 Q A -0.7657
385 A A -1.1570
386 P A -1.0036
387 G A -1.4772
388 K A -2.4111
389 G A -1.6557
390 L A 0.0000
391 E A -1.0976
392 W A 0.0000
393 V A 0.0000
394 S A 0.0000
395 A A 0.0000
396 I A 0.0000
397 S A -0.3044
398 G A -0.4574
399 S A -0.6822
400 G A -0.7525
401 G A -0.7102
402 S A -0.3116
403 T A 0.0815
404 Y A 0.2976
405 Y A -0.5300
406 A A 0.0000
407 D A -2.6485
408 S A -1.8064
409 V A 0.0000
410 K A -2.5735
411 G A -1.7862
412 R A -1.6222
413 F A 0.0000
414 T A -0.8896
415 I A 0.0000
416 S A -0.4878
417 R A -1.0202
418 D A -1.4970
419 N A -1.7236
420 S A -1.5786
421 K A -2.4705
422 N A -1.7347
423 T A -1.1072
424 L A 0.0000
425 Y A -0.6006
426 L A 0.0000
427 Q A -1.5459
428 M A 0.0000
429 N A -1.4407
430 S A -1.1611
431 L A 0.0000
432 R A -2.0076
433 A A -1.6486
434 E A -2.1683
435 D A 0.0000
436 T A -0.4693
437 A A 0.0000
438 V A 0.4914
439 Y A 0.0000
440 Y A 0.0000
441 C A 0.0000
442 A A 0.0000
443 R A 0.0000
444 S A 0.0000
445 S A 0.8000
446 Y A 1.2543
447 D A 0.2346
448 S A -0.1664
449 S A -0.0932
450 G A 0.1786
451 Y A 0.6656
452 Y A 1.0344
453 A A 0.0000
454 M A 0.0000
455 D A 0.0842
456 Y A 0.3049
457 W A 0.0000
458 G A 0.0000
459 Q A -1.2093
460 G A -0.4206
461 T A 0.0984
462 L A 0.9086
463 V A 0.0000
464 T A 0.2060
465 V A 0.0000
466 S A -0.8689
467 S A -1.3651
468 G A -1.5286
469 G A -1.3123
470 G A -1.1576
471 G A -1.1206
472 S A -0.9696
473 G A -1.1415
474 G A -1.1261
475 G A -1.1759
476 G A -1.1329
477 S A -1.0211
478 G A -1.1735
479 G A -1.3711
480 G A -1.2379
481 G A -1.4597
482 S A -1.2523
483 D A -1.6328
484 I A 0.0000
485 Q A -1.9298
486 M A 0.0000
487 T A -1.3929
488 Q A 0.0000
489 S A -0.7691
490 P A -0.4321
491 S A -0.7901
492 S A -0.8333
493 L A -0.6217
494 S A -0.9852
495 A A 0.0000
496 S A -0.5735
497 V A 0.5130
498 G A -0.7022
499 D A -1.5476
500 R A -2.2524
501 V A 0.0000
502 T A -0.5979
503 I A 0.0000
504 T A -0.7596
505 C A 0.0000
506 R A -2.7759
507 A A 0.0000
508 S A -2.1909
509 Q A -2.7946
510 D A -2.8896
511 I A 0.0000
512 S A -1.1352
513 N A -0.6214
514 Y A -0.0177
515 L A 0.0000
516 A A 0.0000
517 W A 0.0000
518 Y A 0.0000
519 Q A 0.0000
520 Q A 0.0000
521 K A -1.3250
522 P A -0.9447
523 G A -1.6543
524 K A -2.4121
525 A A -1.2665
526 P A 0.0000
527 K A -1.3541
528 L A 0.0000
529 L A 0.0000
530 I A 0.0000
531 Y A 0.1491
532 Y A 0.1236
533 T A 0.0000
534 S A -0.5880
535 R A -0.7235
536 L A -0.0670
537 Q A -0.5218
538 S A -0.4930
539 G A -0.5004
540 V A -0.3194
541 P A -0.3178
542 S A -0.3854
543 R A -0.7795
544 F A 0.0000
545 S A -0.4523
546 G A -0.3967
547 S A -0.7414
548 G A -0.9928
549 S A -1.1950
550 G A -1.7409
551 T A -2.2339
552 D A -2.2618
553 F A 0.0000
554 T A -0.7107
555 L A 0.0000
556 T A -0.6040
557 I A 0.0000
558 S A -1.3383
559 S A -1.1692
560 L A 0.0000
561 Q A -0.6370
562 P A -0.5694
563 E A -1.1043
564 D A 0.0000
565 F A -0.0829
566 A A 0.0000
567 T A -0.6868
568 Y A 0.0000
569 Y A 0.0000
570 C A 0.0000
571 Q A 0.0000
572 Q A 0.0000
573 Y A 0.0000
574 N A -0.5983
575 S A -0.2158
576 Y A 0.3586
577 P A -0.1858
578 Y A 0.0000
579 T A -0.5956
580 F A -0.5018
581 G A 0.0000
582 Q A -1.7328
583 G A 0.0000
584 T A 0.0000
585 K A -1.3213
586 V A 0.0000
587 E A -1.2893
588 I A -0.5540
589 K A -1.4457
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Laboratory of Theory of Biopolymers 2018